ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine

C19H39NO — CID 142550037

IUPACethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine
SMILESC=CC(C/C=C/CN(CCC)CCCCCC)OC.CC
InChIInChI=1S/C17H33NO.C2H6/c1-5-8-9-11-15-18(14-6-2)16-12-10-13-17(7-3)19-4;1-2/h7,10,12,17H,3,5-6,8-9,11,13-16H2,1-2,4H3;1-2H3/b12-10+;
InChIKeyXWZFNMIAURQDMP-VHPXAQPISA-N
MW297.53 g/mol
LogP5.45
Rot. Bonds13

About ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine

ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine (PubChem CID 142550037) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine
PubChem CID142550037
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Nameethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine
SMILESC=CC(C/C=C/CN(CCC)CCCCCC)OC.CC
InChIInChI=1S/C17H33NO.C2H6/c1-5-8-9-11-15-18(14-6-2)16-12-10-13-17(7-3)19-4;1-2/h7,10,12,17H,3,5-6,8-9,11,13-16H2,1-2,4H3;1-2H3/b12-10+;
InChIKeyXWZFNMIAURQDMP-VHPXAQPISA-N
XLogP5.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-N-butyl-7-fluoro-5-methoxy-N-methylocta-2,6-dien-1-amine
CID 144302040
N-hexyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hexan-1-amine
CID 138518670
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515518
(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
CID 144515557
N,N-diethyl-1-methoxydodec-2-en-4-amine
CID 151436173
(Z)-2-(1-ethoxybut-3-enyl)-N,N-diethylhept-2-en-1-amine
CID 14814091
(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine
CID 142550038

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine?
The IUPAC name of ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine (CID 142550037) is ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine.
What is the SMILES notation for ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine?
The canonical SMILES for ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine is C=CC(C/C=C/CN(CCC)CCCCCC)OC.CC.
What is the InChIKey of ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine?
The InChIKey is XWZFNMIAURQDMP-VHPXAQPISA-N. The full InChI is InChI=1S/C17H33NO.C2H6/c1-5-8-9-11-15-18(14-6-2)16-12-10-13-17(7-3)19-4;1-2/h7,10,12,17H,3,5-6,8-9,11,13-16H2,1-2,4H3;1-2H3/b12-10+;.
What are the key properties of ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine?
ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.45, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine is sourced from PubChem (CID 142550037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).